(4-phenylphenyl)phosphonic acid

C12H11O3P — CID 12670616

IUPAC(4-phenylphenyl)phosphonic acid
SMILESO=P(O)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11O3P/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyYMPNWCQTWSCICD-UHFFFAOYSA-N
MW234.19 g/mol
LogP2.16
Rot. Bonds2

About (4-phenylphenyl)phosphonic acid

(4-phenylphenyl)phosphonic acid (PubChem CID 12670616) has the molecular formula C12H11O3P and a molecular weight of 234.19 g/mol. Its IUPAC name is (4-phenylphenyl)phosphonic acid.

Molecular Properties

Compound Name(4-phenylphenyl)phosphonic acid
PubChem CID12670616
Molecular FormulaC12H11O3P
Molecular Weight234.19 g/mol
Exact Mass234.04
IUPAC Name(4-phenylphenyl)phosphonic acid
SMILESO=P(O)(O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H11O3P/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKeyYMPNWCQTWSCICD-UHFFFAOYSA-N
XLogP2.16
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.19
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-phenylphenyl)phosphonic acid?
The IUPAC name of (4-phenylphenyl)phosphonic acid (CID 12670616) is (4-phenylphenyl)phosphonic acid.
What is the SMILES notation for (4-phenylphenyl)phosphonic acid?
The canonical SMILES for (4-phenylphenyl)phosphonic acid is O=P(O)(O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (4-phenylphenyl)phosphonic acid?
The InChIKey is YMPNWCQTWSCICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O3P/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,13,14,15).
What are the key properties of (4-phenylphenyl)phosphonic acid?
(4-phenylphenyl)phosphonic acid has a molecular weight of 234.19 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylphenyl)phosphonic acid is sourced from PubChem (CID 12670616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).